Sample Originator: Peter J. Hollimana.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C13H18IN
InChI=1/C13H19N.HI/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;/h6-10H,5H2,1-4H3;1H
| Identification Number: | 10.5258/ecrystals/1248 |
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| Controlled Keywords: | crystal structures of small organic molecules, small organic salts |
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| Date Created: | 18 August 2009 |
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| Deposited On: | 26 Jan 2010 10:09 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User refcode:- ACSQC3IS
Data collection parameters
| Chemical formula | C13 H18 I N |
| Crystal morphology | Cut Plate |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 13.0523(2) |
| Cell length b | 7.42060(10) |
| Cell length c | 13.7092(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.0270(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0355 |
| R Factor (Obs) | 0.0191 |
| R Factor (All) | 0.0205 |
| Weighted R Factor (Obs) | 0.0419 |
| Weighted R Factor (All) | 0.0428 |
Citation: Holliman, Peter J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1248)
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